SCHEMBL13044550

SCHEMBL13044550

CN1CCN(C(C(=O)O)c2cccc3c2OC(F)(F)O3)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.40
FFAR4 Q5NUL3 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GHSR Q92847 1/20 0.34
HTR2A P28223 1/20 0.33
P4HB P07237 1/20 0.33
LMNA P02545 1/20 0.33
CHRM4 P08173 1/20 0.33
IDO1 P14902 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3636403 0.99 MC4R (0.39) MC4RFFAR4HTR1ADRD2MAPT
SCHEMBL3673709 0.79 KDM4E (0.41) MC4RHTR1ADRD2MAPTKDM4E
SCHEMBL3634594 0.78 GHSR (0.66) MC4RHTR1ADRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3639643 0.75 OGA (0.45) MAPTKDM4EALDH1A1LMNA
SCHEMBL13044458 0.73 MC4R (0.54) MC4RMAPTHTR2ALMNACHRM4
SCHEMBL13044412 0.72 MC4R (0.67) MC4RGHSRHTR2ALMNACHRM4
Hydrochloric Acid SCHEMBL3634729 0.72 MC4R (0.53) MC4RMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL3638110 0.71 MC4R (0.66) MC4RGHSRHTR2ALMNACHRM4
SCHEMBL13984355 0.71 MC4R (0.49) MC4RMAPTKDM4EALDH1A1HTT
SCHEMBL3060888 0.70 KDM4E (0.47) MC4RKDM4EALDH1A1HTTHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R MC4R 13/4885FFAR4 89/4885HTR1A 256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.